10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:526
Name:oct-1-ene
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-octene
Labels:
CAS:111-66-0
InChi Code:InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3

Properties

M3.GHLI: Global half-life index i

ValueSource or prediction
-1.07035

experimental value

-0.2948

Tab2.Model_3: Global half-life index (Training set)

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